Stercobilin

Molecular Formula: C₃₃H₄₆N₄O₆

InChI: InChI=1/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,34H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b29-15-/t16-,19-,20-,21-,26+,27+/m1/s1/f/h36-38,40H

InChIKey: InChIKey=TYOWQSLRVAUSMI-RFATXJTLDF
SMILES: CCC1C(C(=O)NC1CC2=NC(=CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C

Names:
    CHEBI:29023
    L-Stercobilin
    L-Urobilin
    Stercobilin IX
    Stercobilin
    (-)-Stercobilin
    (2R,3R,4S,10Z,16S,17R,18R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-21H-biline-8,12-dipropanoic acid
    (2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
    (2R,3R,4S,16S,17R,18R)-3,18-Diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid
    3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S,3R,4R)-4-ethyl-3-methyl-5-oxo-pyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S,3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid
    34217-90-8

Registries:
    PubChem CID 9548572
    PubChem ID 14717664